Mol:LBF15000HO03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 18 0 0 1 0 0 0 0 0999 V2000
-4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
1 17 1 0 0 0 0
13 18 1 4 0 0 0
17 19 1 0 0 0 0
S SKP 5
ID LBF15000HO03
FORMULA C15H30O4
EXACTMASS 274.21440944799997
AVERAGEMASS 274.3963
SMILES OCCCCCCCCCCCCCC(O)C(O)=O
M END
